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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=10243",
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"results": [
{
"id": "mp-1519366",
"created_at": "2022-09-04T14:48:11.018764Z",
"structure_string": "Ba2 Sr2 Pr2 Sb2 O12\n1.0\n6.074147 -0.001661 -0.018414\n-0.006273 6.097387 -0.012125\n-0.032137 -0.022245 8.597221\nBa Sr Pr Sb O\n2 2 2 2 12\ndirect\n0.505018 0.522649 0.250055 Ba\n0.494982 0.477351 0.749945 Ba\n0.992978 0.031960 0.252519 Sr\n0.007022 0.968040 0.747481 Sr\n0.000000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.237707 0.196909 0.956134 O\n0.261564 0.700382 0.527953 O\n0.762293 0.803091 0.043866 O\n0.738436 0.299618 0.472047 O\n0.299577 0.739601 0.963846 O\n0.191118 0.231815 0.542122 O\n0.700423 0.260399 0.036154 O\n0.808882 0.768185 0.457878 O\n0.418459 0.995752 0.229188 O\n0.060010 0.465077 0.270255 O\n0.581541 0.004248 0.770812 O\n0.939990 0.534923 0.729745 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ba-O-Pr-Sb-Sr",
"density": 6.087272345598759,
"density_atomic": 0.06281308573975673,
"volume": 318.4049910055805,
"volume_molar": 9.587398372610698,
"formula_full": "Ba2 Sr2 Pr2 Sb2 O12",
"formula_reduced": "BaSrPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -144.22481018,
"energy_per_atom": -7.211240509,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -135.98081018,
"band_gap": 3.6275,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.822000Z",
"spacegroup": 2
},
{
"id": "mp-1519458",
"created_at": "2022-09-04T14:45:13.360262Z",
"structure_string": "Ba1 Sr1 Pr1 Sb1 O6\n1.0\n0.000000 -4.328788 -4.328788\n4.328788 0.000000 -4.328788\n4.328788 -4.328788 0.000000\nBa Sr Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731791 0.268209 0.268209 O\n0.268209 0.731791 0.731791 O\n0.731791 0.268209 0.731791 O\n0.268209 0.731791 0.268209 O\n0.731791 0.731791 0.268209 O\n0.268209 0.268209 0.731791 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb-Sr",
"density": 5.973703417676336,
"density_atomic": 0.06164119553968688,
"volume": 162.22917015880444,
"volume_molar": 9.769668980743122,
"formula_full": "Ba1 Sr1 Pr1 Sb1 O6",
"formula_reduced": "BaSrPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.74125291,
"energy_per_atom": -7.174125291,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -67.61925291,
"band_gap": 3.4907,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.086000Z",
"spacegroup": 216
},
{
"id": "mp-1519455",
"created_at": "2022-09-04T14:43:43.675040Z",
"structure_string": "Ba4 Sr4 Pr4 Sb4 O24\n1.0\n8.605540 0.000000 0.000000\n0.000000 8.610120 0.000000\n0.000000 0.000000 8.619196\nBa Sr Pr Sb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.748970 0.747847 0.749492 Pr\n0.251030 0.252153 0.749492 Pr\n0.251030 0.747847 0.250508 Pr\n0.748970 0.252153 0.250508 Pr\n0.249566 0.253833 0.250804 Sb\n0.750434 0.746167 0.250804 Sb\n0.750434 0.253833 0.749196 Sb\n0.249566 0.746167 0.749196 Sb\n0.018601 0.225502 0.277957 O\n0.981399 0.774498 0.277957 O\n0.981399 0.225502 0.722043 O\n0.018601 0.774498 0.722043 O\n0.273782 0.021034 0.221459 O\n0.273782 0.978966 0.778541 O\n0.726218 0.978966 0.221459 O\n0.726218 0.021034 0.778541 O\n0.216549 0.285344 0.019758 O\n0.783451 0.285344 0.980242 O\n0.216549 0.714656 0.980242 O\n0.783451 0.714656 0.019758 O\n0.479282 0.288205 0.215156 O\n0.520718 0.711795 0.215156 O\n0.520718 0.288205 0.784844 O\n0.479282 0.711795 0.784844 O\n0.217847 0.481632 0.290590 O\n0.217847 0.518368 0.709410 O\n0.782153 0.518368 0.290590 O\n0.782153 0.481632 0.709410 O\n0.289519 0.219210 0.480095 O\n0.710481 0.219210 0.519905 O\n0.289519 0.780790 0.519905 O\n0.710481 0.780790 0.480095 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb-Sr",
"density": 6.069857653440097,
"density_atomic": 0.06263338775852803,
"volume": 638.637018233996,
"volume_molar": 9.614905045879526,
"formula_full": "Ba4 Sr4 Pr4 Sb4 O24",
"formula_reduced": "BaSrPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -288.21178475,
"energy_per_atom": -7.20529461875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -271.72378475,
"band_gap": 3.5434,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.792000Z",
"spacegroup": 16
},
{
"id": "mp-1247909",
"created_at": "2022-09-04T14:42:23.391348Z",
"structure_string": "Ba10 Pr5 Sn2 Sb3 O30\n1.0\n15.500175 0.120468 26.696979\n6.204939 5.116558 14.221842\n0.007232 0.045161 10.674619\nBa Pr Sn Sb O\n10 5 2 3 30\ndirect\n0.100460 0.249509 0.249589 Ba\n0.299811 0.250375 0.249346 Ba\n0.100189 0.749625 0.750654 Ba\n0.499806 0.249046 0.251619 Ba\n0.299540 0.750491 0.750411 Ba\n0.700068 0.251542 0.248040 Ba\n0.499721 0.750990 0.750586 Ba\n0.900279 0.249010 0.249414 Ba\n0.699932 0.748458 0.751960 Ba\n0.900194 0.750954 0.748381 Ba\n0.998456 0.502168 0.501173 Pr\n0.200000 0.500000 0.500000 Pr\n0.401544 0.497832 0.498827 Pr\n0.599117 0.500791 0.501750 Pr\n0.800883 0.499209 0.498250 Pr\n0.999397 0.000768 0.000721 Sn\n0.400603 0.999232 0.999279 Sn\n0.200000 0.000000 0.000000 Sb\n0.599849 0.000273 0.000102 Sb\n0.800151 0.999727 0.999898 Sb\n0.023768 0.194624 0.263386 O\n0.217890 0.200857 0.272923 O\n0.094394 0.228707 0.805931 O\n0.022558 0.726531 0.235317 O\n0.178868 0.264966 0.770668 O\n0.108849 0.763882 0.200771 O\n0.423203 0.195003 0.264917 O\n0.291151 0.236118 0.799229 O\n0.221132 0.735034 0.229332 O\n0.377442 0.273469 0.764683 O\n0.305606 0.771293 0.194069 O\n0.182110 0.799143 0.727077 O\n0.623911 0.194518 0.263179 O\n0.494643 0.228284 0.805748 O\n0.421373 0.728221 0.236069 O\n0.578710 0.264975 0.771570 O\n0.509502 0.762827 0.201106 O\n0.376232 0.805376 0.736614 O\n0.817313 0.201191 0.273991 O\n0.694925 0.228079 0.805330 O\n0.621077 0.734962 0.229920 O\n0.778923 0.265038 0.770080 O\n0.705075 0.771921 0.194670 O\n0.582687 0.798809 0.726009 O\n0.890498 0.237173 0.798894 O\n0.821290 0.735025 0.228430 O\n0.978627 0.271779 0.763931 O\n0.905357 0.771716 0.194252 O\n0.776089 0.805482 0.736821 O\n0.976797 0.804997 0.735083 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Ba",
"Pr",
"Sn",
"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb-Sn",
"density": 6.28405066203809,
"density_atomic": 0.059869568720932534,
"volume": 835.1488254920102,
"volume_molar": 10.058767565323125,
"formula_full": "Ba10 Pr5 Sn2 Sb3 O30",
"formula_reduced": "Ba10Pr5Sn2(SbO10)3",
"formula_anonymous": "A2B3C5D10E30",
"energy": -357.84178754000004,
"energy_per_atom": -7.156835750800001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -337.23178754,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.9996188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.682000Z",
"spacegroup": 2
},
{
"id": "mp-695389",
"created_at": "2022-09-04T14:43:56.019085Z",
"structure_string": "Ba18 Pr9 Sn4 Sb5 O54\n1.0\n3.079601 5.351019 0.000000\n-3.079601 5.351019 0.000000\n0.000000 0.213111 45.611087\nBa Pr Sn Sb O\n18 9 4 5 54\ndirect\n0.336757 0.336757 0.030204 Ba\n0.668527 0.668527 0.140485 Ba\n0.998427 0.998427 0.249742 Ba\n0.999827 0.999827 0.085404 Ba\n0.333123 0.333123 0.361235 Ba\n0.333156 0.333156 0.192529 Ba\n0.666453 0.666453 0.472455 Ba\n0.666611 0.666611 0.304708 Ba\n0.000077 0.000077 0.583071 Ba\n0.000119 0.000119 0.416283 Ba\n0.333584 0.333584 0.694161 Ba\n0.333147 0.333147 0.527363 Ba\n0.667027 0.667027 0.803946 Ba\n0.666873 0.666873 0.638473 Ba\n0.003191 0.003191 0.917830 Ba\n0.000289 0.000289 0.748208 Ba\n0.335004 0.335004 0.858620 Ba\n0.668162 0.668162 0.974682 Ba\n0.667170 0.667170 0.057833 Pr\n0.666080 0.666080 0.221831 Pr\n0.999950 0.999950 0.333156 Pr\n0.333334 0.333334 0.444367 Pr\n0.666543 0.666543 0.555208 Pr\n0.334125 0.334125 0.776909 Pr\n0.999901 0.999901 0.665242 Pr\n0.668445 0.668445 0.886975 Pr\n0.335823 0.335823 0.947282 Pr\n0.000276 0.000276 0.002813 Sn\n0.001991 0.001991 0.166401 Sn\n0.666475 0.666475 0.720859 Sn\n0.999183 0.999183 0.832204 Sn\n0.334634 0.334634 0.113131 Sb\n0.332934 0.332934 0.277592 Sb\n0.666630 0.666630 0.388736 Sb\n0.999990 0.999990 0.499802 Sb\n0.333660 0.333660 0.610136 Sb\n0.038826 0.499738 0.086324 O\n0.822744 0.300015 0.031436 O\n0.499061 0.499061 0.092261 O\n0.826030 0.826030 0.023205 O\n0.499738 0.038826 0.086324 O\n0.300015 0.822744 0.031436 O\n0.331711 0.851606 0.189065 O\n0.157855 0.643511 0.140933 O\n0.853252 0.853252 0.194925 O\n0.160779 0.160779 0.134603 O\n0.851606 0.331711 0.189065 O\n0.643511 0.157855 0.140933 O\n0.655489 0.191166 0.301092 O\n0.475041 0.010189 0.254716 O\n0.192669 0.192669 0.307891 O\n0.473568 0.473568 0.247926 O\n0.191166 0.655489 0.301092 O\n0.010189 0.475041 0.254716 O\n0.988638 0.524793 0.412149 O\n0.808626 0.344315 0.365679 O\n0.526112 0.526112 0.418835 O\n0.807422 0.807422 0.359006 O\n0.524793 0.988638 0.412149 O\n0.344315 0.808626 0.365679 O\n0.321803 0.858456 0.522905 O\n0.141905 0.677671 0.476458 O\n0.859460 0.859460 0.529590 O\n0.140860 0.140860 0.469787 O\n0.858456 0.321803 0.522905 O\n0.677671 0.141905 0.476458 O\n0.656133 0.192758 0.632718 O\n0.474195 0.011495 0.586797 O\n0.194069 0.194069 0.639932 O\n0.473179 0.473179 0.579792 O\n0.192758 0.656133 0.632718 O\n0.011495 0.474195 0.586797 O\n0.997207 0.525289 0.744617 O\n0.809430 0.334588 0.697413 O\n0.525935 0.525935 0.752616 O\n0.808626 0.808626 0.689557 O\n0.525289 0.997207 0.744617 O\n0.334588 0.809430 0.697413 O\n0.335469 0.864361 0.854739 O\n0.140498 0.665502 0.809737 O\n0.865616 0.865616 0.865773 O\n0.139787 0.139787 0.800732 O\n0.864361 0.335469 0.854739 O\n0.665502 0.140498 0.809737 O\n0.710150 0.178449 0.972413 O\n0.473890 0.970702 0.922006 O\n0.177331 0.177331 0.982933 O\n0.473892 0.473892 0.908495 O\n0.178449 0.710150 0.972413 O\n0.970702 0.473890 0.922006 O\n",
"nsites": 90,
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"O"
],
"chemical_system": "Ba-O-Pr-Sb-Sn",
"density": 6.282775600021336,
"density_atomic": 0.05987026029631462,
"volume": 1503.2505212866104,
"volume_molar": 10.058651374145938,
"formula_full": "Ba18 Pr9 Sn4 Sb5 O54",
"formula_reduced": "Ba18Pr9Sn4Sb5O54",
"formula_anonymous": "A4B5C9D18E54",
"energy": -642.0997060799999,
"energy_per_atom": -7.134441178666666,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.060000Z",
"spacegroup": 8
},
{
"id": "mp-6692",
"created_at": "2022-09-04T14:42:25.046712Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n5.299834 -3.084175 0.000000\n5.299834 3.084175 0.000000\n3.505035 0.000000 5.031412\nBa Pr Sb O\n2 1 1 6\ndirect\n0.251314 0.251314 0.251314 Ba\n0.748686 0.748686 0.748686 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.313285 0.728139 0.225194 O\n0.728139 0.225194 0.313285 O\n0.225194 0.313285 0.728139 O\n0.686715 0.271861 0.774806 O\n0.774806 0.686715 0.271861 O\n0.271861 0.774806 0.686715 O\n",
"nsites": 10,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb",
"density": 6.393663963661041,
"density_atomic": 0.060796537181614076,
"volume": 164.4830522193651,
"volume_molar": 9.905400930994471,
"formula_full": "Ba2 Pr1 Sb1 O6",
"formula_reduced": "Ba2PrSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.39475308,
"energy_per_atom": -7.239475308,
"energy_above_hull": null,
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"energy_uncorrected": -68.27275308,
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"total_magnetization": 2.61e-05,
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"updated_at": "2021-11-28T01:35:44.968000Z",
"spacegroup": 148
},
{
"id": "mp-10731",
"created_at": "2022-09-04T14:40:58.120844Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n0.000000 4.356163 4.356163\n4.356163 0.000000 4.356163\n4.356163 4.356163 0.000000\nBa Pr Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Sb\n0.768551 0.231449 0.768551 O\n0.231449 0.231449 0.768551 O\n0.768551 0.768551 0.231449 O\n0.768551 0.231449 0.231449 O\n0.231449 0.768551 0.231449 O\n0.231449 0.768551 0.768551 O\n",
"nsites": 10,
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"elements": [
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"density": 6.361046962561844,
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"volume": 165.32645801822397,
"volume_molar": 9.956192015379754,
"formula_full": "Ba2 Pr1 Sb1 O6",
"formula_reduced": "Ba2PrSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.33027661,
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"updated_at": "2021-11-28T01:35:01.346000Z",
"spacegroup": 225
},
{
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}